General Information of the Compound
| Compound ID |
CP0527629
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| Compound Name |
6-phenyl-4-N-[2-(pyrimidin-4-ylamino)ethyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H17N7
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| Molecular Weight |
307.361
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| Canonical SMILES |
Nc1nc(NCCNc2ccncn2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C16H17N7/c17-16-22-13(12-4-2-1-3-5-12)10-15(23-16)20-9-8-19-14-6-7-18-11-21-14/h1-7,10-11H,8-9H2,(H,18,19,21)(H3,17,20,22,23)
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| InChIKey |
IBBJBYDHIHMCMO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound